0 B15R2.984 B(c1cc2ccccc2nc1Br)(O)O L20327 [0,0,0,0,0,0|3,0,1]=4 1 B15R2.984 B(c1cc2ccccc2nc1Cl)(O)O L20329 [0,0,0,0,0,0|3,0,1]=4 2 B15R2.984 B(c1cc2ccccc2nc1F)(O)O L20341 [0,0,0,0,0,0|3,0,1]=4 3 B15R2.984 CC(=O)c1cc2ccccc2oc1=O A12532 [0,0,0,0,0,0|1,0,0]=1 4 B15R2.984 Cc1c(nc2ccccc2n1)C(=O)[O-] H35252 [0,0,0,0,0,0|3,0,1]=4 5 B15R2.984 c1ccc2c(c1)cc(c(=O)o2)C(=O)O L07133 [0,0,0,0,0,0|0,0,0]=0 6 B15R2.984 c1ccc2c(c1)nc(c(n2)Cl)C(=O)O H66144 [0,0,0,0,0,0|3,0,0]=3 7 B15R2.984 c1ccc2cc(c(cc2c1)C(=O)O)N L19312 [0,0,0,0,0,0|2,0,0]=2 8 B15R2.984 c1ccc2cc(c(cc2c1)C(=O)O)O A19214 [0,0,0,0,0,0|1,0,1]=2 9 B14R2.781 B(c1cc2ccccc2nc1)(O)O H53021 [1,0,0,0,0,0|2,0,1]=4 10 B14R2.781 B(c1cc2ccccc2nc1)(O)O L20088 [1,0,0,0,0,0|2,0,1]=4 11 B14R2.781 B(c1ccc2ccccc2c1)(O)O B24157 [1,0,0,0,0,0|2,0,1]=4 12 B14R2.781 CC(=O)c1cc2ccccc2nc1 H33206 [1,0,0,0,0,0|2,0,0]=3 13 B14R2.781 CC(=O)c1ccc2ccccc2c1 A14793 [1,0,0,0,0,0|2,0,0]=3 14 B14R2.781 CC(=O)c1cnc2ccccc2n1 H26680 [1,0,0,0,0,0|3,0,0]=4 15 B14R2.781 CC(c1ccc2ccccc2c1)O L05108 [1,0,0,0,0,0|2,0,1]=4 16 B14R2.781 c1cc2c(cc1C(=O)O)nccn2 H33157 [1,0,0,0,0,0|3,0,0]=4 17 B14R2.781 c1cc2cc(ccc2nc1)C(=O)O A18223 [1,0,0,0,0,0|2,0,0]=3 18 B14R2.781 c1ccc2c(c1)CC(CO2)C(=O)O H58448 [1,0,0,0,0,0|0,0,3]=4 19 B14R2.781 c1ccc2c(c1)OCC(O2)C(=O)O B20661 [1,0,0,0,0,0|1,0,2]=4 20 B14R2.781 c1ccc2c(c1)cc(cn2)C(=O)O L15133 [1,0,0,0,0,0|1,0,0]=2 21 B14R2.781 c1ccc2c(c1)ccc(n2)C(=O)O A10192 [1,0,0,0,0,0|2,0,0]=3 22 B14R2.781 c1ccc2c(c1)ncc(n2)C(=O)O H59780 [1,0,0,0,0,0|2,0,0]=3 23 B14R2.781 c1ccc2cc(ccc2c1)C(=O)Cl A14046 [1,0,0,0,0,0|2,0,0]=3 24 B14R2.781 c1ccc2cc(ccc2c1)C(=O)N L08391 [1,0,0,0,0,0|2,0,0]=3 25 B14R2.781 c1ccc2cc(ccc2c1)C(=O)O L05102 [1,0,0,0,0,0|1,0,0]=2 26 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 38590 [1,0,0,0,0,0|1,0,1]=3 27 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 38593 [1,0,0,0,0,0|1,0,1]=3 28 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 38609 [1,0,0,0,0,0|1,0,1]=3 29 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 39455 [1,0,0,0,0,0|1,0,1]=3 30 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 39554 [1,0,0,0,0,0|1,0,1]=3 31 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 39568 [1,0,0,0,0,0|1,0,1]=3 32 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 39585 [1,0,0,0,0,0|1,0,1]=3 33 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 40387 [1,0,0,0,0,0|1,0,1]=3 34 B14R2.781 c1ccc2cc(ccc2c1)C(=O)[O-] 43752 [1,0,0,0,0,0|1,0,1]=3 35 B14R2.781 c1ccc2cc(ccc2c1)C(=S)N H26324 [1,0,0,0,0,0|2,1,0]=4 36 B14R2.781 c1ccc2cnc(cc2c1)C(=O)O A19880 [1,0,0,0,0,0|2,0,0]=3 37 B14R2.1128 c1ccc2c(c1)cc(c(=O)[nH]2)C=O H33508 [1,0,0,0,0,0|1,0,0]=2 38 B14R2.1128 c1ccc2c(c1)cc(c(=O)o2)C#N H27871 [1,0,0,0,0,0|1,0,1]=3 39 B14R2.1128 c1ccc2c(c1)cc(c(n2)Cl)C=O H27133 [1,0,0,0,0,0|2,0,0]=3 40 B16R2.23372 c1ccc2c(c1)c(c(c(=O)o2)[N+](=O)[O-])Cl L07908 [0,1,0,0,0,0|1,0,1]=3 41 B16R2.23372 c1ccc2c(c1)c(c(c(=O)o2)[N+](=O)[O-])O A12221 [0,1,0,0,0,0|1,0,1]=3 42 B16R2.23521 c1cc2c(cc1Br)cc(c(=O)o2)C(=O)O A15354 [0,1,0,0,0,0|0,0,0]=1 43 B16R2.33941 COC(=O)c1cc2ccccc2cc1O L14533 [0,1,0,0,0,0|1,0,1]=3 44 B16R2.33941 c1ccc2cc(c(cc2c1)C(=O)NN)O A16192 [0,1,0,0,0,0|2,0,1]=4 45 B14R1.482 CCOc1ccccc1\C=C\C(=O)O L06650 [0,0,1,0,0,0|1,0,1]=3 46 B14R1.4513 CC(=O)C(=Cc1ccccc1)C(=O)C L00623 [0,0,1,0,0,0|2,0,0]=3 47 B14R2.450 Cc1c2ccccc2oc1C(=O)O B21044 [0,0,0,0,1,0|2,0,0]=3 48 B14R2.450 Cc1c2ccccc2sc1C(=O)C B20967 [0,0,0,0,1,0|3,0,0]=4 49 B14R2.450 Cc1c2ccccc2sc1C(=O)O B24624 [0,0,0,0,1,0|2,0,0]=3 50 B14R2.450 c1ccc2c(c1)c(c(s2)C(=O)Cl)Cl L11745 [0,0,0,0,1,0|3,0,0]=4 51 B14R2.450 c1ccc2c(c1)c(c(s2)C(=O)N)Cl L18898 [0,0,0,0,1,0|3,0,0]=4 52 B14R2.450 c1ccc2c(c1)c(c(s2)C(=O)O)Cl L01257 [0,0,0,0,1,0|2,0,0]=3 53 B14R2.450 c1ccn2c(c1)nc(c2Br)C(=O)O H35479 [0,0,0,0,1,0|3,0,0]=4 54 B14R2.450 c1ccn2c(c1)nc(c2Cl)C(=O)O H33162 [0,0,0,0,1,0|3,0,0]=4 55 B16R2.3989 c1ccc2c(c1)NC(=O)C(S2)CC(=O)O H27824 [0,0,0,0,0,1|2,0,1]=4 56 B13R1.348 CC(=O)CC(=O)Oc1ccccc1 L19599 [1,0,1,0,0,0|1,0,1]=4 57 B13R1.90 COc1c(cccn1)\C=C\C(=O)O H50063 [1,0,1,0,0,0|1,0,1]=4 58 B13R1.90 COc1ccccc1\C=C\C(=O)O A15173 [1,0,1,0,0,0|0,0,1]=3 59 B13R1.90 c1ccc(c(c1)C=O)OCC(=O)O A14605 [1,0,1,0,0,0|1,0,1]=4 60 B13R1.418 c1ccc(cc1)\C=C(/C#N)\C(=O)O L04133 [1,0,1,0,0,0|1,0,1]=4 61 B13R2.57 C=Cc1ccc2ccccc2c1 A12470 [2,0,0,0,0,0|2,0,0]=4 62 B13R2.57 c1ccc2c(c1)cc(cn2)C=O L13815 [2,0,0,0,0,0|1,0,0]=3 63 B13R2.57 c1ccc2c(c1)ccc(n2)C=O L20202 [2,0,0,0,0,0|2,0,0]=4 64 B13R2.57 c1ccc2cc(ccc2c1)C=O B25157 [2,0,0,0,0,0|1,0,0]=3 65 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)Cl H27494 [2,0,0,0,0,0|1,0,0]=3 66 B13R2.369 c1ccc2c(c1)cc(c(=O)o2)N L14031 [2,0,0,0,0,0|1,0,0]=3 67 B13R2.369 c1ccc2cc(c(cc2c1)N)O B24570 [2,0,0,0,0,0|2,0,0]=4 68 B13R2.369 c1ccc2cc(c(cc2c1)O)O A11307 [2,0,0,0,0,0|1,0,1]=4 69 B15R1.5914 CC(=O)Oc1ccccc1\C=C\C(=O)O L02849 [0,1,1,0,0,0|0,0,0]=2 70 B15R2.627 CC(=O)c1ccc2ccccc2c1O A19532 [1,1,0,0,0,0|2,0,0]=4 71 B15R2.627 c1ccc2c(c1)c(=O)c(co2)C(=O)O A14422 [1,1,0,0,0,0|0,0,0]=2 72 B15R2.627 c1ccc2c(c1)ccc(c2O)C(=O)O A12785 [1,1,0,0,0,0|1,0,0]=3 73 B15R2.1601 COC(=O)c1cc2ccccc2cn1 B20181 [1,1,0,0,0,0|2,0,0]=4 74 B15R2.1601 COC(=O)c1ccc2ccccc2c1 L09973 [1,1,0,0,0,0|1,0,0]=3 75 B15R2.1601 c1ccc2cc(ccc2c1)C(=O)CBr B23960 [1,1,0,0,0,0|2,0,0]=4 76 B15R2.1601 c1ccc2cc(ccc2c1)C(=O)NN L08038 [1,1,0,0,0,0|2,0,0]=4 77 B15R2.4441 c1ccc2cc(ccc2c1)S(=O)(=O)O A13445 [1,1,0,0,0,0|2,0,0]=4 78 B15R2.4441 c1ccc2cc(ccc2c1)S(=O)(=O)O H56685 [1,1,0,0,0,0|2,0,0]=4 79 B15R2.7174 c1cc2c(cc1Cl)C=C(CO2)C(=O)O A13425 [1,1,0,0,0,0|0,0,1]=3 80 B15R2.7180 Cc1ccc2cc(ccc2n1)C(=O)O H63790 [1,1,0,0,0,0|2,0,0]=4 81 B15R2.7180 c1cc(cc2c1cc(cc2)Br)C(=O)O L16093 [1,1,0,0,0,0|1,0,0]=3 82 B15R2.7180 c1cc(cc2c1cc(cc2)O)C(=O)O B21791 [1,1,0,0,0,0|1,0,0]=3 83 B15R2.14951 c1ccc2c(c1)c(=O)cc(o2)C(=O)O A13552 [1,1,0,0,0,0|2,0,0]=4 84 B15R2.14951 c1ccc2c(c1)c(cc(n2)C(=O)O)O A12602 [1,1,0,0,0,0|2,0,0]=4 85 B15R2.61353 c1cc2ccc(nc2c(c1)O)C(=O)O H27054 [1,1,0,0,0,0|2,0,0]=4 86 B15R2.1592 COC(=O)c1c(c2ccccc2s1)Cl L10696 [0,1,0,0,1,0|2,0,0]=4 87 B15R2.1592 COC(=O)c1c(c2ccccc2s1)N H33956 [0,1,0,0,1,0|2,0,0]=4 88 B15R2.1592 Cc1c2ccccc2sc1C(=O)OC B24069 [0,1,0,0,1,0|2,0,0]=4 89 B15R2.9921 CC(=O)N1C(=O)c2ccccc2C1=O A14855 [0,1,0,0,1,0|2,0,0]=4 90 B15R2.19393 COC(=O)C1c2ccccc2CC1=O H57535 [0,1,0,0,1,0|1,0,1]=4 91 B17R2.880639 c1c2cc(c(=O)oc2c(cc1Br)Br)C(=O)O B20222 [0,2,0,0,0,0|0,0,0]=2 92 B17R2.912270 c1cc2c(cc1Br)cc(c(c2Br)O)C(=O)O L07019 [0,2,0,0,0,0|1,0,1]=4 93 B17R2.50008 CCCC(=O)c1cc2ccccc2oc1=O A15262 [0,2,0,0,0,0|1,0,0]=3 94 B17R2.50008 CCOC(=O)c1cc2ccccc2oc1=O A12553 [0,2,0,0,0,0|0,0,0]=2 95 B15R2.993 c1ccc2c(c1)n(c(=O)o2)CC(=O)O H66828 [0,0,1,1,0,0|1,0,1]=4 96 B15R2.1162 c1ccc2c(c1)ccc(c2C(=O)O)O L13426 [0,0,1,1,0,0|1,0,1]=4 97 B13R2.72 B(c1coc2c1cccc2)(O)O H64389 [1,0,0,0,1,0|1,0,1]=4 98 B13R2.72 CC(=O)c1c[nH]c2c1cccc2 A16221 [1,0,0,0,1,0|2,0,0]=4 99 B13R2.72 CC(=O)c1csc2c1cccc2 A10330 [1,0,0,0,1,0|1,1,0]=4 100 B13R2.72 c1cc2c(c[nH]c2nc1)C(=O)O H59866 [1,0,0,0,1,0|2,0,0]=4 101 B13R2.72 c1ccc2c(c1)CC=C2C(=O)O H34344 [1,0,0,0,1,0|1,0,0]=3 102 B13R2.72 c1ccc2c(c1)c(c[nH]2)C(=O)O A12634 [1,0,0,0,1,0|1,0,0]=3 103 B13R2.72 c1ccc2c(c1)c(cs2)C(=O)O H50105 [1,0,0,0,1,0|0,1,0]=3 104 B13R2.72 c1ccc2c(c1)c(n[nH]2)C(=O)O H64001 [1,0,0,0,1,0|2,0,0]=4 105 B13R2.430 c1cc(cc2c1cc[nH]2)C(=O)O L16019 [1,0,0,0,1,0|2,0,0]=4 106 B13R2.430 c1cc2c(cc[nH]2)cc1C(=O)O A18627 [1,0,0,0,1,0|2,0,0]=4 107 B13R2.435 B(c1cc2ccccc2o1)(O)O B23676 [1,0,0,0,1,0|1,0,1]=4 108 B13R2.435 CC(=O)c1cc2ccccc2o1 L13771 [1,0,0,0,1,0|1,0,0]=3 109 B13R2.435 CC(=O)c1cc2ccccc2s1 B21173 [1,0,0,0,1,0|1,1,0]=4 110 B13R2.435 c1cc2c(cc(o2)C(=O)O)nc1 H34400 [1,0,0,0,1,0|1,0,0]=3 111 B13R2.435 c1ccc2c(c1)cc([nH]2)C(=O)O A18690 [1,0,0,0,1,0|1,0,0]=3 112 B13R2.435 c1ccc2c(c1)cc(o2)C(=O)O A15579 [1,0,0,0,1,0|0,0,0]=2 113 B13R2.435 c1ccc2c(c1)cc(s2)C(=O)Cl L08140 [1,0,0,0,1,0|1,1,0]=4 114 B13R2.435 c1ccc2c(c1)cc(s2)C(=O)N A12292 [1,0,0,0,1,0|1,1,0]=4 115 B13R2.435 c1ccc2c(c1)cc(s2)C(=O)O A12471 [1,0,0,0,1,0|0,1,0]=3 116 B13R2.435 c1ccn2cc(nc2c1)C(=O)O H35025 [1,0,0,0,1,0|2,0,0]=4 117 B13R2.45 Cc1c2ccccc2[nH]c1C=O H66393 [1,0,0,0,1,0|2,0,0]=4 118 B13R2.45 Cc1c2ccccc2sc1C=O A11375 [1,0,0,0,1,0|2,0,0]=4 119 B13R2.135 c1ccc2c(c1)\C(=N\O)\C(=O)N2 B22732 [1,0,0,0,1,0|2,0,0]=4 120 B13R2.135 c1ccc2c(c1)c(c([nH]2)Cl)C=O H34381 [1,0,0,0,1,0|2,0,0]=4 121 B15R1.256 c1ccc(c(c1)NC(=O)\C=C/C(=O)O)Br H34339 [0,0,1,0,0,1|2,0,0]=4 122 B15R1.3565 c1ccc(cc1)CC(CC(=O)O)C(=O)O L12846 [0,0,1,0,0,1|0,0,2]=4 123 B15R2.629 Cc1c2ccccc2sc1CC(=O)O A19620 [0,0,0,0,1,1|2,0,0]=4 124 B15R2.988 c1ccc2c(c1)c(cc(n2)O)C(=O)O H29247 [0,0,0,0,1,1|1,0,1]=4